Geometry & MOs

Info

ID:	3830
PubChem CID:	10272
Reduced:	NOC6H10 (2)
Stoich.:	ABC6D10 (2)
Weight, g/mol:	224.152478
ΔH_f, kcal/mol:	-60.56
Dipole, Da:	2.51
IP(EA), eV:	-8.96(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-butan-2-yl-1-hydroxy-3-(2-methylpropyl)pyrazin-2-one

Drug info:

PubChemData

Smile

CCC(C)C1=CN=C(C(=O)N1O)CC(C)C

DOS

IR

Vibrations